SCHEMBL6979462

SCHEMBL6979462

N#Cc1ccc(CCC(=O)N2CCCc3ccccc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
MAPK1 P28482 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
TSHR P16473 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TP53 P04637 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
FPR1 P21462 2/20 0.52
FPR2 P25090 2/20 0.52
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6978707 0.98 MAPT (0.58) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6979722 0.85 TP53 (0.48) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6977395 0.85 TP53 (0.46) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL4210381 0.84 SMN1; SMN2 (0.61) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6983746 0.83 NR3C1 (0.47) MAPK1TSHRALDH1A1MEN1KMT2A
SCHEMBL7407025 0.83 NR3C1 (0.45) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL7959087 0.83 TP53 (0.48) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6976631 0.83 HSD17B3 (0.46) MAPTSMN1; SMN2MAPK1NPC1RAB9A
SCHEMBL6986003 0.83 RAB9A (0.48) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6977738 0.83 TP53 (0.51) MAPTSMN1; SMN2MAPK1NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed